methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate

C18H19NO5 — CID 21494416

IUPACmethyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate
SMILESCCc1c(CC(=O)OC)ccnc1Oc1cccc(C(=O)OC)c1
InChIInChI=1S/C18H19NO5/c1-4-15-12(11-16(20)22-2)8-9-19-17(15)24-14-7-5-6-13(10-14)18(21)23-3/h5-10H,4,11H2,1-3H3
InChIKeyFSAKJHKFHBRVJE-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.94
Rot. Bonds6

About methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate

methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 21494416) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate
PubChem CID21494416
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate
SMILESCCc1c(CC(=O)OC)ccnc1Oc1cccc(C(=O)OC)c1
InChIInChI=1S/C18H19NO5/c1-4-15-12(11-16(20)22-2)8-9-19-17(15)24-14-7-5-6-13(10-14)18(21)23-3/h5-10H,4,11H2,1-3H3
InChIKeyFSAKJHKFHBRVJE-UHFFFAOYSA-N
XLogP2.94
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
methyl 3-ethoxybenzoate
CID 3267781
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
methyl 3-acetyloxybenzoate
CID 577969
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
CID 168652704
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
methyl 3-(2-iodoethoxy)benzoate
CID 10979673
CID 59716384
CID 59716384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate (CID 21494416) is methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate is CCc1c(CC(=O)OC)ccnc1Oc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is FSAKJHKFHBRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-4-15-12(11-16(20)22-2)8-9-19-17(15)24-14-7-5-6-13(10-14)18(21)23-3/h5-10H,4,11H2,1-3H3.
What are the key properties of methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate?
methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-ethyl-4-(2-methoxy-2-oxoethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 21494416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).